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Compile Data Set for Download or QSAR

Found 4 hits of kd data for polymerid = 50006227   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GTPase KRas


(Homo sapiens)
BDBM50088354
PNG
(CHEMBL2086795)
Show SMILES CC[C@H](C)[C@H](N)C(=O)Nc1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c2c1
Show InChI InChI=1S/C22H25N5O/c1-3-13(2)21(23)22(28)25-15-8-9-18-19(11-15)27-20(26-18)10-14-12-24-17-7-5-4-6-16(14)17/h4-9,11-13,21,24H,3,10,23H2,1-2H3,(H,25,28)(H,26,27)/t13-,21-/m0/s1
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n/an/an/a 1.90E+5n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to KRas (unknown origin)


Bioorg Med Chem Lett 25: 2461-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.089
BindingDB Entry DOI: 10.7270/Q2SF2XVC
More data for this
Ligand-Target Pair
GTPase KRas


(Homo sapiens)
BDBM50088363
PNG
(CHEMBL2086796)
Show SMILES O=C(Nc1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c2c1)[C@@H]1CCCN1
Show InChI InChI=1S/C21H21N5O/c27-21(18-6-3-9-22-18)24-14-7-8-17-19(11-14)26-20(25-17)10-13-12-23-16-5-2-1-4-15(13)16/h1-2,4-5,7-8,11-12,18,22-23H,3,6,9-10H2,(H,24,27)(H,25,26)/t18-/m0/s1
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n/an/an/a 3.40E+5n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to KRas (unknown origin)


Bioorg Med Chem Lett 25: 2461-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.089
BindingDB Entry DOI: 10.7270/Q2SF2XVC
More data for this
Ligand-Target Pair
GTPase KRas


(Homo sapiens)
BDBM29608
PNG
(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
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n/an/an/a 6.00E+5n/an/an/an/an/a



Ruhr University of Bochum

Curated by ChEMBL


Assay Description
Binding affinity to human K-RAS by NMR analysis


J Med Chem 56: 9664-72 (2014)


Article DOI: 10.1021/jm401291q
BindingDB Entry DOI: 10.7270/Q2959K11
More data for this
Ligand-Target Pair
GTPase KRas


(Homo sapiens)
BDBM50088364
PNG
(CHEMBL2396993)
Show SMILES Cc1[nH]c2ccccc2c1Cc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H15N3/c1-11-13(12-6-2-3-7-14(12)18-11)10-17-19-15-8-4-5-9-16(15)20-17/h2-9,18H,10H2,1H3,(H,19,20)
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n/an/an/a 2.00E+6n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to KRas (unknown origin)


Bioorg Med Chem Lett 25: 2461-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.089
BindingDB Entry DOI: 10.7270/Q2SF2XVC
More data for this
Ligand-Target Pair